4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile

C21H20N2O2 — CID 118493270

IUPAC4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCOc1ccc(C2=C(C#N)C(=O)NC(C)(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H20N2O2/c1-14-4-8-16(9-5-14)21(2)12-18(19(13-22)20(24)23-21)15-6-10-17(25-3)11-7-15/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyALFLCVMZAAUSSK-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.72
Rot. Bonds3

About 4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile

4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile (PubChem CID 118493270) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
PubChem CID118493270
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile
SMILESCOc1ccc(C2=C(C#N)C(=O)NC(C)(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C21H20N2O2/c1-14-4-8-16(9-5-14)21(2)12-18(19(13-22)20(24)23-21)15-6-10-17(25-3)11-7-15/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyALFLCVMZAAUSSK-UHFFFAOYSA-N
XLogP3.72
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-benzyl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
CID 729017
4-[4-(Difluoromethoxy)phenyl]-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 78121022
4-(4-Methylphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 78121060
4-(4-Methylphenyl)-6-oxo-2-(trifluoromethyl)-2-[4-(3,3,3-trifluoropropoxy)phenyl]-1,3-dihydropyridine-5-carbonitrile
CID 78121061
2-(4-Butoxyphenyl)-4-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 89599410
2-(4-Methoxyphenyl)-4-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362689
4-(4-Methylphenyl)-6-oxo-2-[4-(3-phenylpropoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362693
2-[4-(3-Methylbutoxy)phenyl]-4-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362695
2-[4-(4-Methoxyphenyl)phenyl]-4-(4-methylphenyl)-6-oxo-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362697
4-(4-Methylphenyl)-6-oxo-2-(4-phenoxyphenyl)-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362702
4-(4-Methoxyphenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362720
4-(4-Cyanophenyl)-6-oxo-2-[4-(4,4,4-trifluorobutoxy)phenyl]-2-(trifluoromethyl)-1,3-dihydropyridine-5-carbonitrile
CID 122362721

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile (CID 118493270) is 4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile is COc1ccc(C2=C(C#N)C(=O)NC(C)(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile?
The InChIKey is ALFLCVMZAAUSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-4-8-16(9-5-14)21(2)12-18(19(13-22)20(24)23-21)15-6-10-17(25-3)11-7-15/h4-11H,12H2,1-3H3,(H,23,24).
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile?
4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile has a molecular weight of 332.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-2-(4-methylphenyl)-6-oxo-1,3-dihydropyridine-5-carbonitrile is sourced from PubChem (CID 118493270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).